REMARK  Name = LIG001896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.339   0.353  -1.049  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.242   0.480   0.022  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        2.591   0.638  -0.256  0.00  0.00    -0.016 A 
ATOM      4  C   LIG    1        3.741   0.827   0.674  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.895   0.806  -0.224  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.491   0.855  -1.555  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        5.173   1.027  -2.546  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.036   0.673  -1.571  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.181   0.556  -2.646  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        0.817   0.391  -2.374  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        6.241   1.203   0.209  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.414   1.089   1.733  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.894   1.877   2.523  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.046  -0.038   2.203  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.064  -0.144   3.208  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.386  -1.157   1.487  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.675  -2.204   2.060  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.316  -1.050  -0.016  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.364   0.403  -0.463  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  21
ATOM     20  C   LIG    1       -2.094   0.107  -1.579  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1       -1.022   0.187  -0.715  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1       -1.237   0.175   0.274  0.00  0.00    +0.155 HD
ATOM     23  O   LIG    1       -2.082   0.231  -2.796  0.00  0.00    -0.270 OA
BRANCH  20  28
ATOM     24  C   LIG    1       -7.154  -0.254   0.939  0.00  0.00    +0.163 A 
ATOM     25  C   LIG    1       -5.875  -0.173   0.359  0.00  0.00    +0.170 A 
ATOM     26  O   LIG    1       -5.612   0.902  -0.457  0.00  0.00    -0.483 OA
ATOM     27  C   LIG    1       -4.535   0.738  -1.394  0.00  0.00    +0.270 C 
ATOM     28  C   LIG    1       -3.394  -0.087  -0.885  0.00  0.00    +0.052 C 
ATOM     29  C   LIG    1       -3.553  -0.998   0.085  0.00  0.00    +0.023 C 
ATOM     30  C   LIG    1       -4.890  -1.129   0.657  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -5.190  -2.181   1.525  0.00  0.00    +0.027 A 
ATOM     32  C   LIG    1       -6.463  -2.268   2.086  0.00  0.00    +0.022 A 
ATOM     33 BR   LIG    1       -6.865  -3.697   3.260  0.00  0.00    -0.050 Br
ATOM     34  C   LIG    1       -7.443  -1.315   1.801  0.00  0.00    +0.064 A 
BRANCH  24  36
ATOM     35  C   LIG    1       -9.336   0.692   1.164  0.00  0.00    +0.277 C 
ATOM     36  O   LIG    1       -8.035   0.738   0.595  0.00  0.00    -0.491 OA
ENDBRANCH  24  36
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 4